SCHEMBL954612

SCHEMBL954612

CCOC(=O)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MITF O75030 2/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
GALR2 O43603 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 5/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL546991 0.83 NPSR1 (0.43) ALDH1A1SMN1; SMN2POLBLMNAHPGD
Hydrochloric Acid SCHEMBL3467163 0.81 NPSR1 (0.42) ALDH1A1SMN1; SMN2POLBLMNAHPGD
SCHEMBL1883398 0.80 CYP3A4 (0.41) ALDH1A1SMN1; SMN2POLBLMNAHPGD
Propane SCHEMBL18131179 0.80 HCAR3 (0.38) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL10240268 0.78 GPR35 (0.34) ALDH1A1SMN1; SMN2POLBLMNAHPGD
SCHEMBL11763106 0.78 AR (0.54) MAPTKMT2ANPC1RAB9AGAA
SCHEMBL719025 0.78 KDM4E (0.49) ALDH1A1POLBMAPTKMT2AKDM4E
SCHEMBL21996840 0.77 ALDH1A1 (0.38) ALDH1A1LMNANPSR1MAPTKMT2A
SCHEMBL13544467 0.76 L3MBTL1 (0.43) ALDH1A1POLBLMNAKMT2A
SCHEMBL18131166 0.76 MAPT (0.45) ALDH1A1SMN1; SMN2MITFPOLBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 216 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-10-23 US disclosed
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed
US-20250195513-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2025-06-19 US disclosed
EP-4536664-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene, Ltd. (KY) 2025-04-16 EP disclosed
CN-119403805-A Degradation of IRAK4 by conjugation of IRAK4 inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2025-02-07 CN disclosed
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-01-02 US disclosed
US-12168057-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2024-12-17 US disclosed
US-11958831-B2 Pyrazole compounds, pharmaceutical compositions thereof and use thereof ARTIVILA (SHENZHEN) INNOVATION CENTER, LTD. (CN) 2024-04-16 US disclosed
WO-2023242228-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS UNIVERSITEIT LEIDEN (NL) 2023-12-21 WO disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885SMN1; SMN2 2647/4885MITF 1979/4885
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885SMN1; SMN2 2647/4885MITF 1979/4885
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 ALDH1A1 2715/4885SMN1; SMN2 2168/4885MITF 2807/4885
US-20250195513-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE IRAK4, IRAK2, IRAK3 ALDH1A1 3564/4885SMN1; SMN2 2072/4885MITF 2503/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 ALDH1A1 846/4885SMN1; SMN2 3519/4885MITF 3552/4885
US-11958831-B2 Pyrazole compounds, pharmaceutical compositions thereof and use thereof IRAK3, IRAK1, IRAK2 ALDH1A1 2332/4885SMN1; SMN2 3963/4885MITF 1284/4885
US-12168057-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885SMN1; SMN2 2647/4885MITF 1979/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.